ChemSpider 2D Image | 1-tert-Butyl 4-methyl 1H-indole-1,4-dicarboxylate | C15H17NO4

1-tert-Butyl 4-methyl 1H-indole-1,4-dicarboxylate

  • Molecular FormulaC15H17NO4
  • Average mass275.300 Da
  • Monoisotopic mass275.115753 Da
  • ChemSpider ID24765289

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Indole-1,4-dicarboxylate de 4-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1H-Indole-1,4-dicarboxylic acid, 1-(1,1-dimethylethyl) 4-methyl ester [ACD/Index Name]
1-tert-Butyl 4-methyl 1H-indole-1,4-dicarboxylate
220499-11-6 [RN]
4-Methyl 1-(2-methyl-2-propanyl) 1H-indole-1,4-dicarboxylate [ACD/IUPAC Name]
4-Methyl-1-(2-methyl-2-propanyl)-1H-indol-1,4-dicarboxylat [German] [ACD/IUPAC Name]
[220499-11-6] [RN]
1-(tert-butyl) 4-methyl 1h-indole-1,4-dicarboxylate
1-O-tert-butyl 4-O-methyl indole-1,4-dicarboxylate

Validated by Experts, Validated by Users, Non-Validated, Removed by Users


    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 387.3±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.6±3.0 kJ/mol
    Flash Point: 188.0±25.7 °C
    Index of Refraction: 1.543
    Molar Refractivity: 74.8±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.84
    ACD/LogD (pH 5.5): 3.73
    ACD/BCF (pH 5.5): 401.53
    ACD/KOC (pH 5.5): 2543.00
    ACD/LogD (pH 7.4): 3.73
    ACD/BCF (pH 7.4): 401.53
    ACD/KOC (pH 7.4): 2543.00
    Polar Surface Area: 58 Å2
    Polarizability: 29.7±0.5 10-24cm3
    Surface Tension: 38.9±7.0 dyne/cm
    Molar Volume: 237.3±7.0 cm3

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